N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide

C15H13Cl2NOS — CID 685019

IUPACN-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NOS/c16-12-3-1-11(2-4-12)9-18-15(19)10-20-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyDLXJERLLAURAAJ-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.40
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide

N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 685019) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID685019
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NOS/c16-12-3-1-11(2-4-12)9-18-15(19)10-20-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H,18,19)
InChIKeyDLXJERLLAURAAJ-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide (CID 685019) is N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is DLXJERLLAURAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c16-12-3-1-11(2-4-12)9-18-15(19)10-20-14-7-5-13(17)6-8-14/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide?
N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 326.25 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 685019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).